CID 206902

28866-28-6

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C23H36N2O2/c1-19-16-23(27-20(2)26,21-12-8-7-9-13-21)22(3,17-24(19)4)18-25-14-10-5-6-11-15-25/h7-9,12-13,19H,5-6,10-11,14-18H2,1-4H3
InChIKey
UUVOCZPTRDKTMA-UHFFFAOYSA-N
Compound name
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.284956 192.4
[M+Na]+ 395.266898 193.9
[M-H]- 371.270404 198.4
[M+NH4]+ 390.311503 204.2
[M+K]+ 411.240838 193.8
[M+H-H2O]+ 355.274940 181.6
[M+HCOO]- 417.275881 203.1
[M+CH3COO]- 431.291531 217.8
[M+Na-2H]- 393.252346 190.7
[M]+ 372.27713142 184.7
[M]- 372.27822858 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.